Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGMTMSQFDQSITLPSGVQLKNRLMLSPMTTQLSFFNGVITEDEITYYKQRSKGLGAVITGAANVQDIGKGWPGELSIAHDEMIPRLSELAKAIQGEGAKAIIQIFHGGRMTSRATLSGEQPVSASAVAAKR--------PDAETPRAMSEEEIVETIQAFGKATRRAIESGFDGIELHGANTYLIQQFFSPHSNRREDQWGGSLENRYRFIEELLTTVFSAVEQYAKKPFIVGYRFSPEEYETPGIR--FED-TIWLLERLRESKLDYLHVSLNMYDRIARSDKYNDKSILEVVHNTIQGKIPLVGVGGIRNREDVEQVLK-Y-AELAAIGQQMIVDPDWAEKLLENREDEFVTKPFEEAYKELYLPSPLYNFLKARYQ 4A3U Chain:B ((2-340)) ------PSLFDPIRFG-AFTAKNRIWMAPLTRGRATRDHVPTEIMAEYYAQRA-SAGLIISEATGISQEGLGWPYAPGIWSDAQVEAWLPITQAVHDAGGLIFAQLWHMGRMVPSNVS-GMQPVAPSASQAPGLGHTYDGKKPYDVARALRLDEIPRLLDDYEKAARHALKAGFDGVQIHAANGYLIDEFIRDSTNHRHDEYGGAVENRIRLLKDVTERVIATIG-----KERTAVRLSPNGEIQGTVDSHPEQVFIPAAKMLSDLDIAFLGMREGAVDGT--FGKTDQPKLSPEIRKVF--KPPLV-LNQDYTFETAQAALDSGVADAISFGRPFIGNPDLPRRFFEKAPLTK--DVIE---------------------

General information: TITO was launched using: RESULT: Template: 4A3U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2080 7027 3.38 21.55 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : 3.38 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_4A3U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A3U-query.scw PDB file : Tito_Scwrl_4A3U.pdb: